Scientific.IO.PDB.Atom

Package Scientific :: Package IO :: Module PDB :: Class Atom |
[frames] | no frames]

# Class Atom

Known Subclasses:
  - HetAtom

Atom in a PDB structure

Instance Methods
__getitem__(self, item) Returns: the property value |
__init__(self, name, position, **properties) |
__repr__(self) |
__setitem__(self, item, value) |
__str__(self) |
`str` |
type(self) Returns: the six-letter record type, ATOM or HETATM |
writeToFile(self, file) Write an atom record to a file |

Method Details

### __getitem__(self, item) (Indexing operator) |
Parameters: `item` (`str`) - the name of a property, including "name" or "position" Returns: the property value

### __init__(self, name, position, **properties) (Constructor) |
Parameters: `name` (`str`) - the atom name `position` (Scientific.Geometry.Vector) - the atom position `properties` - any other atom properties as keyword parameters. These properties are stored in the atom object and can be accessed by indexing, as for dictionaries.

### __setitem__(self, item, value) (Index assignment operator) |
Parameters: `item` (`str`) - the name of an existing or to be defined property `value` - the new value for the property

### type(self) |
Returns: `str` the six-letter record type, ATOM or HETATM

### writeToFile(self, file) |
Write an atom record to a file Parameters: `file` (PDBFile or `str`) - a PDB file object or a filename